# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0a82db80-5301-45f8-850a-68034cb98f0d/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for NaSbO2 / C2/c (15) / materials id 754368](https://mdr.nims.go.jp/datasets/4d9a6571-8e76-46a8-967a-c20c0e9b9776)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     3     5 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  32</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/INCAR-nac      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Na Sb O   1.0     7.4572950899999997    0.0000000000000000    0.0158268300000000     0.0000000000000000    7.4203220800000000    0.0000000000000000    -3.4731823999999998    0.0000000000000000    4.3597453599999998 Na Sb O   4   4   8Direct   0.0000000000000000  0.3774398400000000  0.7500000000000000   0.0000000000000000  0.6225601599999999  0.2500000000000000   0.5000000000000000  0.8774398400000000  0.7500000000000000   0.5000000000000000  0.1225601600000000  0.2500000000000000   0.0000000000000000  0.8864046200000000  0.7500000000000000   0.0000000000000000  0.1135953800000000  0.2500000000000000   0.5000000000000000  0.3864046200000000  0.7500000000000000   0.5000000000000000  0.6135953800000000  0.2500000000000000   0.7013604099999999  0.5599503699999999  0.7440074999999999   0.7013604099999999  0.4400496300000000  0.2440075000000000   0.2986395900000000  0.5599503699999999  0.7559925000000001   0.2986395900000000  0.4400496300000000  0.2559925000000000   0.2013604100000000  0.0599503700000000  0.7440074999999999   0.2013604100000000  0.9400496300000000  0.2440075000000000   0.7986395900000001  0.0599503700000000  0.7559925000000001   0.7986395900000001  0.9400496300000000  0.2559925000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     3     3     5 0.000 0.000 0.000